methanesulfonic acid;4-methyl-1-propylpiperidine

C10H23NO3S — CID 175583558

IUPACmethanesulfonic acid;4-methyl-1-propylpiperidine
SMILESCCCN1CCC(C)CC1.CS(=O)(=O)O
InChIInChI=1S/C9H19N.CH4O3S/c1-3-6-10-7-4-9(2)5-8-10;1-5(2,3)4/h9H,3-8H2,1-2H3;1H3,(H,2,3,4)
InChIKeyAVXOQZYWFJGAQH-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.63
Rot. Bonds2

About methanesulfonic acid;4-methyl-1-propylpiperidine

methanesulfonic acid;4-methyl-1-propylpiperidine (PubChem CID 175583558) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is methanesulfonic acid;4-methyl-1-propylpiperidine.

Molecular Properties

Compound Namemethanesulfonic acid;4-methyl-1-propylpiperidine
PubChem CID175583558
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Namemethanesulfonic acid;4-methyl-1-propylpiperidine
SMILESCCCN1CCC(C)CC1.CS(=O)(=O)O
InChIInChI=1S/C9H19N.CH4O3S/c1-3-6-10-7-4-9(2)5-8-10;1-5(2,3)4/h9H,3-8H2,1-2H3;1H3,(H,2,3,4)
InChIKeyAVXOQZYWFJGAQH-UHFFFAOYSA-N
XLogP1.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
1-propylpiperidine-4-sulfonyl chloride
CID 115000336
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
1-butyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 171932138
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111387565

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;4-methyl-1-propylpiperidine?
The IUPAC name of methanesulfonic acid;4-methyl-1-propylpiperidine (CID 175583558) is methanesulfonic acid;4-methyl-1-propylpiperidine.
What is the SMILES notation for methanesulfonic acid;4-methyl-1-propylpiperidine?
The canonical SMILES for methanesulfonic acid;4-methyl-1-propylpiperidine is CCCN1CCC(C)CC1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;4-methyl-1-propylpiperidine?
The InChIKey is AVXOQZYWFJGAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.CH4O3S/c1-3-6-10-7-4-9(2)5-8-10;1-5(2,3)4/h9H,3-8H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;4-methyl-1-propylpiperidine?
methanesulfonic acid;4-methyl-1-propylpiperidine has a molecular weight of 237.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;4-methyl-1-propylpiperidine is sourced from PubChem (CID 175583558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).